(E)-3-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide
Formula:C15H16N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide |
| MolecularFormula | C15H16N3OBr |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)NCCCn1cncc1 |
| InChI | InChI=1S/C15H16BrN3O/c16-14-5-2-13(3-6-14)4-7-15(20)18-8-1-10-19-11-9-17-12-19/h2-7,9,11-12H,1,8,10H2,(H,18,20) |
| InChIK | JIYWBBKALFSBQW-UHFFFAOYSA-N |
| TotalMolweight | 334.216 |
| Molweight | 334.216 |
| MonoisotopicMass | 333.047673 |
| CLogP | 2.2449 |
| CLogS | -2.51 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 236.6 |
| Relative PSA | 0.17895 |
| PolarSurfaceArea | 46.92 |
| Druglikeness | 1.4229 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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